SCHEMBL16006403

SCHEMBL16006403

CCC(=O)C[C@H](C#N)C(=O)OC

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
ZDHHC7 Q9NXF8 1/20 0.31
ANPEP P15144 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1441850 0.85 ALDH1A1 (0.37) TDP1SMN1; SMN2
SCHEMBL14192720 0.80 KMT2A (0.34) TDP1CA1CA2SMN1; SMN2ANPEP
SCHEMBL1752393 0.80 TSHR (0.37) CA1CA2SMN1; SMN2ANPEP
SCHEMBL3249360 0.80 ALDH1A1 (0.36) TDP1CA1CA2SMN1; SMN2ANPEP
SCHEMBL15268831 0.79
SCHEMBL23175627 0.79 GAA (0.45) TDP1SMN1; SMN2
SCHEMBL11670845 0.77 CA1 (0.38) CA1CA2SMN1; SMN2ZDHHC7ANPEP
SCHEMBL13548729 0.77 ALDH1A1 (0.33) SMN1; SMN2ANPEP
SCHEMBL10526563 0.76 CA1 (0.42) TDP1CA1CA2SMN1; SMN2ZDHHC7
SCHEMBL13315130 0.76 CA1 (0.32) CA1CA2SMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014131315-A1 BRIDGED RING COMPOUNDS AS HEPATITIS C VIRUS INHIBITORS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2014-09-04 WO disclosed